| 表面扩散对CO氧化反应一级相变点的影响：蒙特卡罗模拟 |
| |
| 引用本文： | 曾健青,张镜澄,郭向云,钟炳.表面扩散对CO氧化反应一级相变点的影响：蒙特卡罗模拟[J].物理化学学报,1997,13(2):183-187. |
| |
| 作者姓名： | 曾健青 张镜澄 郭向云 钟炳 |
| |
| 作者单位： | Guangzhou Institute of Chemistry,Chinese Academy of Sciences,Guangzhou 510650,Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001 |
| |
| 摘 要： | CO氧化反应无论在化学工业还是在环境保护化学中都占有重要一席，特别是它常被用作研究多相催化反应基本过程的模型反应．研究表明，这一反应体系具有复杂的动力学行为，其中包括表面吸附物种的动力学相变、速率振荡和催化剂表面的结构重排等四人们还发现，当CO和O。按化学计量
|
| 关 键 词： | 蒙特卡罗方法 CO氧化 表面扩散 相变点 |
| 收稿时间： | 1996-08-19 |
| 修稿时间： | 1996-11-12 |
The Influence of Diffusion on the First Order Phase Transition Point of CO Oxidation:Monte Carlo Simulation |
| |
| Zeng Jianqing ,Zhang Jingcheng.The Influence of Diffusion on the First Order Phase Transition Point of CO Oxidation:Monte Carlo Simulation[J].Acta Physico-Chimica Sinica,1997,13(2):183-187. |
| |
| Authors: | Zeng Jianqing Zhang Jingcheng |
| |
| Institution: | Guangzhou Institute of Chemistry,Chinese Academy of Sciences,Guangzhou 510650|Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001 |
| |
| Abstract: | The influence of adsorbed CO diffusion on the first order phase transition point (y2)of CO oxidation based on Langmuir-Hinshelwood mechanism was studied in detail by Monte Carlo simulation. It was found that CO diffusion increased the value of the first order phase transition point(y2) and when the ratio(k) of diffusion probability of adsorbed CO to adsorption probability of CO is 100, y2 is equal to 0.642. The correlated y2 value is in good agreement with the theoretical result(O.65) obtained by Mai when k approaches to infinity large. |
| |
| Keywords: | Monte Carlo method CO oxidation Diffusion on surface Phase transition point |
| 本文献已被 CNKI 维普 等数据库收录！ |
| 点击此处可从《物理化学学报》浏览原始摘要信息 |
| 点击此处可从《物理化学学报》下载免费的PDF全文 |
